Geometry & MOs

Info

ID:	84851
PubChem CID:	49870326
Reduced:	O2F3N5H22C24 (1)
Stoich.:	A2B3C5D22E24 (1)
Weight, g/mol:	480.17731
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	7.23
IP(EA), eV:	-8.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1C2=C(CNCCC2)C3=C1C=C(C=C3)N4C(=O)C=C(C=N4)OCC5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations