Geometry & MOs

Info

ID:	37204
PubChem CID:	8018232
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	2.53
IP(EA), eV:	-8.79(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4',6'-dimethylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]-2'-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCOC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations