Geometry & MOs

Info

ID:	216924
PubChem CID:	85086994
Reduced:	OSiC20H32 (1)
Stoich.:	ABC20D32 (1)
Weight, g/mol:	320.04986
ΔH_f, kcal/mol:	-64.64
Dipole, Da:	2.24
IP(EA), eV:	-9.02(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-7-methylsulfanyl-5-oxo-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(CC1=CC=CC=C1)C(=C[Si](C)(C)C)CC=C

DOS

IR

Vibrations