Geometry & MOs

Info

ID:	260129
PubChem CID:	103182149
Reduced:	ClN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	232.168797
ΔH_f, kcal/mol:	28.3
Dipole, Da:	5.49
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-3,5-dimethylpyridin-2-yl)methyl-methylamino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CN(C)CC2=CC=CC=C2Cl

DOS

IR

Vibrations