Geometry & MOs

Info

ID:	396080
PubChem CID:	135027361
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	355.093498
ΔH_f, kcal/mol:	-142.53
Dipole, Da:	5.99
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-chloro-1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C2(C[N+](=O)[O-])NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations