Geometry & MOs

Info

ID:	153601
PubChem CID:	56312864
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	382.242042
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	2.99
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-5-phenylpentan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=CC=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations