Geometry & MOs

Info

ID:	432205
PubChem CID:	135172337
Reduced:	INOC8H16 (1)
Stoich.:	ABCD8E16 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	5.05
IP(EA), eV:	-9.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-(2-methylpropanimidoyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(CCCI)C(=O)NC

DOS

IR

Vibrations