Geometry & MOs

Info

ID:	142284
PubChem CID:	53009336
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	2.62
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC(=C(N=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)C(=O)O

DOS

IR

Vibrations