Geometry & MOs

Info

ID:	260243
PubChem CID:	103186216
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	3.97
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CN(C)CCCC(=O)O

DOS

IR

Vibrations