Geometry & MOs

Info

ID:	317257
PubChem CID:	126635247
Reduced:	ON2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.186200
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-5-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C=C[N+](=C2)C(C)(C)CC(C)(C)C

DOS

IR

Vibrations