Geometry & MOs

Info

ID:	296141
PubChem CID:	117557836
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	2.67
IP(EA), eV:	-9.79(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=CC(=CN=C1)C(=O)O

DOS

IR

Vibrations