Geometry & MOs

Info

ID:	371197
PubChem CID:	127344262
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	2.26
IP(EA), eV:	-8.75(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-cyclopentyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCCC(CC2)N3CCCC3

DOS

IR

Vibrations