Geometry & MOs

Info

ID:	28434
PubChem CID:	827581
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	2.99
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-N-benzylbicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2[C@H]3[C@@H]2CCCC3

DOS

IR

Vibrations