Geometry & MOs

Info

ID:	143212
PubChem CID:	53164751
Reduced:	OF2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	2.77
IP(EA), eV:	-8.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(1-propan-2-ylsulfonylpiperidin-4-yl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=C(C=N2)NC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations