Geometry & MOs

Info

ID:	183892
PubChem CID:	77087484
Reduced:	OF3N3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	8.22
IP(EA), eV:	-9.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)C3=CC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations