Geometry & MOs

Info

ID:	211442
PubChem CID:	80950629
Reduced:	ClN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	267.150225
ΔH_f, kcal/mol:	40.07
Dipole, Da:	4.05
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-cyclopropyl-N-(4-methylhexan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2C=C(C(=N2)C)Cl)NCCC

DOS

IR

Vibrations