Geometry & MOs

Info

ID:	210735
PubChem CID:	80849504
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	270.161125
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	3.12
IP(EA), eV:	-8.34(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(CC)N(CC(C)C)C1=NC(=NC=C1C)N

DOS

IR

Vibrations