Geometry & MOs

Info

ID:	414159
PubChem CID:	135087114
Reduced:	N4C13H13 (1)
Stoich.:	A4B13C13 (1)
Weight, g/mol:	496.142148
ΔH_f, kcal/mol:	123.06
Dipole, Da:	4.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137471
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-(2,3,4,5,6-pentafluorobenzoyl)oxyiminobutyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])C2=CC=CC=[N+]2C

DOS

IR

Vibrations