Geometry & MOs

Info

ID:	272741
PubChem CID:	103753907
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	334.03169
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	4.28
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations