Geometry & MOs

Info

ID:	357887
PubChem CID:	127295387
Reduced:	ClO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations