Geometry & MOs

Info

ID:	354714
PubChem CID:	127287413
Reduced:	ON2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	5.22
IP(EA), eV:	-8.82(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC1NC(=O)N(C)C2CCN(CC2)CC3=NC=C(C(=C3C)OC)C

DOS

IR

Vibrations