Geometry & MOs

Info

ID:	191235
PubChem CID:	78121686
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-170.4
Dipole, Da:	4.15
IP(EA), eV:	-9.56(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,7,8,8a-octahydro-1H-pyrazolo[3,4-d]azepin-6-yl)-2-(3,5-diphenylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(C(C2=O)CCO)(C)C(=O)OC

DOS

IR

Vibrations