Geometry & MOs

Info

ID:	210337
PubChem CID:	80790839
Reduced:	ClN4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	18.66
Dipole, Da:	3.91
IP(EA), eV:	-8.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,2-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1CCCN1C2=NC(=NC=C2Cl)N

DOS

IR

Vibrations