Geometry & MOs

Info

ID:	44534
PubChem CID:	10503932
Reduced:	N3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	454.12559
ΔH_f, kcal/mol:	96.13
Dipole, Da:	1.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.611250
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[3-(2-bromophenyl)propyl]-5-methoxyindol-3-yl]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C[N+]12CCC3=C(C1C4=C(CC2)C5=CC=CC=C5N4)NC6=CC=CC=C36

DOS

IR

Vibrations