Geometry & MOs

Info

ID:	357875
PubChem CID:	127295375
Reduced:	ClFO2N3C20H27 (1)
Stoich.:	ABC2D3E20F27 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-139.65
Dipole, Da:	3.77
IP(EA), eV:	-9.09(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations