Geometry & MOs

Info

ID:

321252

PubChem CID:

126665600

Reduced:

F2N2O2H14C15 (2)

Stoich.:

A2B2C2D14E15 (2)

Weight, g/mol:

631.201809

ΔHf, kcal/mol:

-228.9

Dipole, Da:

3.33

IP(EA), eV:

 -9.93(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[[3-[(cyclopropylmethylamino)-[3-(trifluoromethyl)phenyl]methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)N(C3=CC=CC(=C3)C(C4=CC=CC=C4)O)F

DOS

IR

Vibrations