Geometry & MOs

Info

ID:	262421
PubChem CID:	103292638
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	353.97707
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	3.18
IP(EA), eV:	-9.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)CCN1CC2=C(C=CC=C2Cl)OC

DOS

IR

Vibrations