Geometry & MOs

Info

ID:	199627
PubChem CID:	79272851
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	4.73
IP(EA), eV:	-10.28(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid

Drug info:

PubChemData

Smile

C#CCN(CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations