Geometry & MOs

Info

ID:	245157
PubChem CID:	99437710
Reduced:	O3N4C26H36 (1)
Stoich.:	A3B4C26D36 (1)
Weight, g/mol:	477.27399
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	2.26
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations