Geometry & MOs

Info

ID:	162251
PubChem CID:	57394057
Reduced:	FO2N5C30H38 (1)
Stoich.:	AB2C5D30E38 (1)
Weight, g/mol:	510.31071
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	2.37
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[N-[(4-methylpyridin-3-yl)methyl]anilino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CN=CC=C3)C4=CC=C(C=C4)OC)C)F

DOS

IR

Vibrations