Geometry & MOs

Info

ID:	415023
PubChem CID:	135088003
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	263.093773
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	5.37
IP(EA), eV:	-8.79(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCCN(CC1)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations