Geometry & MOs

Info

ID:	414592
PubChem CID:	135087551
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	367.156373
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	4.07
IP(EA), eV:	-8.78(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-4-methylquinoline

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2CCOC2

DOS

IR

Vibrations