Geometry & MOs

Info

ID:	266725
PubChem CID:	103579214
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	5.82
IP(EA), eV:	-10.19(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-N-pent-1-yn-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations