Geometry & MOs

Info

ID:	155967
PubChem CID:	56368524
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	387.075262
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	9.04
IP(EA), eV:	-8.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[(2,4-dichlorobenzoyl)amino]acetyl]-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations