Geometry & MOs

Info

ID:	165715
PubChem CID:	74586229
Reduced:	ClOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	368.104003
ΔH_f, kcal/mol:	14.86
Dipole, Da:	5.98
IP(EA), eV:	-9.31(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5-oxo-2-phenyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1C2C(SCC(=O)N=C2NN1)C3=CC=CC=C3Cl

DOS

IR

Vibrations