Geometry & MOs

Info

ID:	154227
PubChem CID:	56313633
Reduced:	FO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	6.99
IP(EA), eV:	-8.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(5-nitroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations