Geometry & MOs

Info

ID:	210300
PubChem CID:	80786631
Reduced:	N3C7H14 (2)
Stoich.:	A3B7C14 (2)
Weight, g/mol:	268.028252
ΔH_f, kcal/mol:	1.32
Dipole, Da:	1.34
IP(EA), eV:	-8.84(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCNC1=NC(=NC(=N1)NCCC)N(CC)CC

DOS

IR

Vibrations