Geometry & MOs

Info

ID:	197954
PubChem CID:	79021154
Reduced:	BrN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	247.087625
ΔH_f, kcal/mol:	51.35
Dipole, Da:	2.08
IP(EA), eV:	-8.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(2-chlorophenyl)methyl]-6-methylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1N)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations