Geometry & MOs

Info

ID:	160736
PubChem CID:	57389607
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	469.166938
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	7.43
IP(EA), eV:	-9.4(-0.29)
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-pyridin-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC2(C1)CN3C(=CC(=O)NC3=N2)O

DOS

IR

Vibrations