Geometry & MOs

Info

ID:	80030
PubChem CID:	49832297
Reduced:	ClO2N4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	386.033731
ΔH_f, kcal/mol:	20.34
Dipole, Da:	7.64
IP(EA), eV:	-8.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-5-(3,4-dichlorophenyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C3NC(=CC(=O)N3NC2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations