Geometry & MOs

Info

ID:	275960
PubChem CID:	103819463
Reduced:	BrON5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	35.88
Dipole, Da:	3.53
IP(EA), eV:	-9.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-3-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(N=CC=C1)Br)N2C=NC=N2

DOS

IR

Vibrations