Geometry & MOs

Info

ID:	184718
PubChem CID:	77197593
Reduced:	BrFNO4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	369.165269
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	3.22
IP(EA), eV:	-9.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-[2-(2,3-difluorophenyl)ethyl]-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)N2CCC(OC2=O)(CCC(=O)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations