Geometry & MOs

Info

ID:	252394
PubChem CID:	103111060
Reduced:	Br2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	48.5
Dipole, Da:	4.3
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2-methylphenyl)methylamino]-6-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations