Geometry & MOs

Info

ID:	160695
PubChem CID:	57389458
Reduced:	OF2N6H22C25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	458.162187
ΔH_f, kcal/mol:	15.52
Dipole, Da:	1.85
IP(EA), eV:	-9.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6S)-3-(7-chloroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CC=N2)C(=O)N3C[C@@H]4[C@H]3CN(CC4)C5=NC6=CC(=C(C=C6N=C5)F)F

DOS

IR

Vibrations