Geometry & MOs

Info

ID:	403072
PubChem CID:	135058610
Reduced:	NH21C32 (1)
Stoich.:	AB21C32 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	144.71
Dipole, Da:	2.23
IP(EA), eV:	-7.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-nitro-2-[(E)-1-phenylprop-1-en-2-yl]indole-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4C=C3C5=C2C=CC6=CC=CC=C65)C7=CC=CC=C7

DOS

IR

Vibrations