Geometry & MOs

Info

ID:	413081
PubChem CID:	135086025
Reduced:	N4C14H15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	304.951
ΔH_f, kcal/mol:	109.0
Dipole, Da:	2.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.081692
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-1H-indol-2-yl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations