Geometry & MOs

Info

ID:	257201
PubChem CID:	103144355
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	4.99
IP(EA), eV:	-7.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-5-bromopyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)N(C)C)C)N

DOS

IR

Vibrations