Geometry & MOs

Info

ID:	413536
PubChem CID:	135086485
Reduced:	N4C14H15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	308.079707
ΔH_f, kcal/mol:	113.93
Dipole, Da:	4.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.186692
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations