Geometry & MOs

Info

ID:	211410
PubChem CID:	80945143
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	16.6
Dipole, Da:	5.88
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-methyl-4-N-propan-2-yl-2-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC2=CC(=NC(=N2)C3CC3)Cl

DOS

IR

Vibrations