Geometry & MOs

Info

ID:	188020
PubChem CID:	77654139
Reduced:	FO3N5C18H26 (1)
Stoich.:	AB3C5D18E26 (1)
Weight, g/mol:	638.331144
ΔH_f, kcal/mol:	-151.4
Dipole, Da:	6.67
IP(EA), eV:	-8.85(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-amino-4-(3,4-difluoroanilino)cyclohexyl]-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1COC2C3N1C(=O)NC(=O)C3CC(C2N4CCC(C4)C(CC#N)N)F

DOS

IR

Vibrations