Geometry & MOs

Info

ID:	299211
PubChem CID:	117680084
Reduced:	O2N4C8H13 (1)
Stoich.:	A2B4C8D13 (1)
Weight, g/mol:	523.3239
ΔH_f, kcal/mol:	16.87
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769818
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopentylethyl)-2-[(E)-4-methyl-3-methylidene-4-(2-methylnaphthalen-1-yl)-5-phenylpent-1-enyl]indole

Drug info:

PubChemData

Smile

C1CC(CCC1CN=[N+]=[N-])NC(=O)[O-]

DOS

IR

Vibrations