Geometry & MOs

Info

ID:

327378

PubChem CID:

126689740

Reduced:

O2F3N5H32C33 (1)

Stoich.:

A2B3C5D32E33 (1)

Weight, g/mol:

649.287589

ΔHf, kcal/mol:

-84.81

Dipole, Da:

4.08

IP(EA), eV:

 -8.94(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[[(2-cyclopropyl-1-hydroxyethyl)amino]-phenylmethyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations