Geometry & MOs

Info

ID:	292366
PubChem CID:	114917587
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	371.94318
ΔH_f, kcal/mol:	-125.78
Dipole, Da:	3.74
IP(EA), eV:	-9.4(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-2,5-dichloro-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(CCN1)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations