Geometry & MOs

Info

ID:	162532
PubChem CID:	57394962
Reduced:	ClNO2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	465.260312
ΔH_f, kcal/mol:	-15.52
Dipole, Da:	4.84
IP(EA), eV:	-9.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-ylcyclohexyl)amino]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations