Geometry & MOs

Info

ID:	193192
PubChem CID:	78354806
Reduced:	N4O5H14C17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	461.220223
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	7.34
IP(EA), eV:	-9.43(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=NN2C(=O)C3C=CC=CC3=NC2=O

DOS

IR

Vibrations