Geometry & MOs

Info

ID:	296555
PubChem CID:	117583659
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	69.95
Dipole, Da:	3.66
IP(EA), eV:	-8.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-N-methyl-2-(methylaminomethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNCCC1=NC=CC(=N1)N(C)C2=CC=CS2

DOS

IR

Vibrations