Geometry & MOs

Info

ID:	173752
PubChem CID:	75678878
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	369.16079
ΔH_f, kcal/mol:	20.38
Dipole, Da:	5.53
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methyl]-2,5-dimethyl-3-phenyl-2,3,3a,4,5,6-hexahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)C(C(=O)N3C(C=C2C)(C)C)(C4C(=O)NC(=S)N4)C(C#N)C#N

DOS

IR

Vibrations