Geometry & MOs

Info

ID:	193514
PubChem CID:	78403350
Reduced:	N4O7H14C20 (1)
Stoich.:	A4B7C14D20 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	8.48
IP(EA), eV:	-9.73(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(6-benzoyl-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-perimidin-2-yl)carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C(=C2NC3C=CC=CC3=N2)C#N

DOS

IR

Vibrations