Geometry & MOs

Info

ID:	398138
PubChem CID:	135031969
Reduced:	NOC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	333.172879
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	1.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754750
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-3-(2-methoxy-1-methyl-3-phenylcyclopent-2-en-1-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1(CCCC(N1O)(C)[CH2+])C

DOS

IR

Vibrations