Geometry & MOs

Info

ID:	185149
PubChem CID:	77261988
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	453.222784
ΔH_f, kcal/mol:	-126.76
Dipole, Da:	6.49
IP(EA), eV:	-9.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-acetylphenyl)phenyl]-2,2-difluoroethyl]-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC=C(C=C2)C(C(F)(F)F)NC(CC(C)C)C(=O)NC3(CC3)C#N

DOS

IR

Vibrations