Geometry & MOs

Info

ID:	211408
PubChem CID:	80945141
Reduced:	ClN4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	102.51
Dipole, Da:	3.53
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-propan-2-yl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CC(=N2)Cl)N(CCC#N)C3=CC=CC=C3

DOS

IR

Vibrations