Geometry & MOs

Info

ID:	152055
PubChem CID:	56310906
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	375.268591
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	2.29
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-ethyl-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CO2)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations