Geometry & MOs

Info

ID:	252396
PubChem CID:	103111076
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	281.048653
ΔH_f, kcal/mol:	64.62
Dipole, Da:	4.5
IP(EA), eV:	-8.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-3,5-dichloropyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations