Geometry & MOs

Info

ID:	352629
PubChem CID:	127283718
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	363.288577
ΔH_f, kcal/mol:	-53.02
Dipole, Da:	4.5
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpiperidin-4-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)CC2=C(N=C3C=CNN3C2=O)C

DOS

IR

Vibrations