Geometry & MOs

Info

ID:	291504
PubChem CID:	112900846
Reduced:	N4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	353.140723
ΔH_f, kcal/mol:	39.66
Dipole, Da:	2.23
IP(EA), eV:	-8.41(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC(=NC=C2)N(CC)C3=CC=CC=C3

DOS

IR

Vibrations