Geometry & MOs

Info

ID:	347285
PubChem CID:	127272079
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	4.99
Dipole, Da:	4.89
IP(EA), eV:	-8.66(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropanecarbonyl)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=CC(=C2)CNC(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations