Geometry & MOs

Info

ID:	413327
PubChem CID:	135086275
Reduced:	NC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	305.089937
ΔH_f, kcal/mol:	15.99
Dipole, Da:	1.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.090636
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(ethoxycarbonyloxymethylidene)-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=[NH2+])C

DOS

IR

Vibrations