Geometry & MOs

Info

ID:	179983
PubChem CID:	76562184
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	349.165108
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	3.83
IP(EA), eV:	-8.63(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminophenyl)-5-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1CC(=O)NC(N1)C2=CC=C(C=C2)N

DOS

IR

Vibrations