Geometry & MOs

Info

ID:	404583
PubChem CID:	135067003
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	325.10002
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	3.02
IP(EA), eV:	-9.36(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-1-benzyl-3,4-dichloro-3-ethyl-3a,4,5,6,7,7a-hexahydroindol-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=[N+](C=CC(=C2)C(=O)OC)[O-]

DOS

IR

Vibrations