Geometry & MOs

Info

ID:	422598
PubChem CID:	135118109
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	5.98
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylimidazol-1-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C)NC(=O)C1=C(ON=C1N2CCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations