Geometry & MOs

Info

ID:	213962
PubChem CID:	81065596
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	238.10659
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	6.71
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carbamoylpyrazin-2-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations