Geometry & MOs

Info

ID:	84850
PubChem CID:	49870323
Reduced:	FO2N3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	469.172559
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	2.56
IP(EA), eV:	-8.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)-5-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridazin-3-one

Drug info:

PubChemData

Smile

CN1C2=C(CCNCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations