Geometry & MOs

Info

ID:	441417
PubChem CID:	135234581
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-147.78
Dipole, Da:	3.35
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)propanoate

Drug info:

PubChemData

Smile

CCC(CN(C)C(OC)OC)C1=COC2=C1C(=NC=C2)OC3=CC(=C(C=C3)C(=O)CC)C

DOS

IR

Vibrations