Geometry & MOs

Info

ID:

327383

PubChem CID:

126689759

Reduced:

O2F3N6H23C31 (1)

Stoich.:

A2B3C6D23E31 (1)

Weight, g/mol:

633.292675

ΔHf, kcal/mol:

-55.15

Dipole, Da:

6.14

IP(EA), eV:

 -9.28(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(2-methylphenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=CC=C(C=C4)C5=NC=CC(=C5)CN)O)C#N

DOS

IR

Vibrations