Geometry & MOs

Info

ID:	396078
PubChem CID:	135027359
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	321.132471
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	5.03
IP(EA), eV:	-9.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N(C(=O)[C@@]2(C#N)NC(=O)OC(C)(C)C)CC3=CC=CC=C3)C

DOS

IR

Vibrations