Geometry & MOs

Info

ID:	245158
PubChem CID:	99437711
Reduced:	O3N5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	477.27399
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	1.37
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-[[(3R)-3-carbamoylpiperidin-1-yl]methyl]phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CN4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations