Geometry & MOs

Info

ID:	357890
PubChem CID:	127295390
Reduced:	F2O2N3C20H27 (1)
Stoich.:	A2B2C3D20E27 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-175.76
Dipole, Da:	6.72
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations