Geometry & MOs

Info

ID:	323870
PubChem CID:	126676383
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-44.16
Dipole, Da:	4.41
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(cyclopropylcarbamoyl)-3-methyl-2-oxopyridin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CNCC1=CN(C(=O)C(=C1)C(=O)NC)CC2=CC=CC=C2

DOS

IR

Vibrations