Geometry & MOs

Info

ID:	425417
PubChem CID:	135126266
Reduced:	OCl2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	23.07
Dipole, Da:	7.42
IP(EA), eV:	-9.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]cinnoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=CC(=NC(=C4)Cl)Cl)C

DOS

IR

Vibrations