Geometry & MOs

Info

ID:	153514
PubChem CID:	56312749
Reduced:	FN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	366.210742
ΔH_f, kcal/mol:	-154.69
Dipole, Da:	5.19
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations