Geometry & MOs

Info

ID:	84823
PubChem CID:	49870181
Reduced:	ClO2N3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	436.171082
ΔH_f, kcal/mol:	-15.13
Dipole, Da:	3.43
IP(EA), eV:	-8.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(CNCCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations