Geometry & MOs

Info

ID:	413110
PubChem CID:	135086054
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	5.68
IP(EA), eV:	-9.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-nitrophenyl)prop-2-ynyl]-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CC(=C)C(=O)N(CC1=CC=CC=C1)C(=O)C(C)(C)C

DOS

IR

Vibrations