Geometry & MOs

Info

ID:	358171
PubChem CID:	127295716
Reduced:	ClN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	5.78
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(2-methyl-2-phenylpropyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCOCC3

DOS

IR

Vibrations