Geometry & MOs

Info

ID:	285869
PubChem CID:	104134097
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	366.01345
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	5.22
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-2-chloro-6-ethyl-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)NCCC2=CCCCC2)Cl

DOS

IR

Vibrations