Geometry & MOs

Info

ID:	395991
PubChem CID:	135027165
Reduced:	N2H13C16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	284.088495
ΔH_f, kcal/mol:	93.5
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.247732
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(azidomethyl)-1,3-dimethyl-5-(trifluoromethyl)indol-2-one

Drug info:

PubChemData

Smile

CC1=C[C@@H]2C(=NC3=[N+]2C4=CC=CC=C4C=C3)C=C1

DOS

IR

Vibrations