Geometry & MOs

Info

ID:	84626
PubChem CID:	49868790
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	463.187147
ΔH_f, kcal/mol:	54.01
Dipole, Da:	2.4
IP(EA), eV:	-8.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCN(CC23CC3)C4=C5C=CNC5=NC=C4

DOS

IR

Vibrations