Geometry & MOs

Info

ID:	55971
PubChem CID:	17397967
Reduced:	ClN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	315.125073
ΔH_f, kcal/mol:	-159.17
Dipole, Da:	2.53
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]quinazoline

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CNC1=CC(=C(C=C1OC)Cl)OC

DOS

IR

Vibrations