Geometry & MOs

Info

ID:	187569
PubChem CID:	77593358
Reduced:	ClN3O4C29H36 (1)
Stoich.:	AB3C4D29E36 (1)
Weight, g/mol:	306.98441
ΔH_f, kcal/mol:	-180.17
Dipole, Da:	3.15
IP(EA), eV:	-9.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)methyl]-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1(CCC(CC1)N2CC(=O)NC(C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations