Geometry & MOs

Info

ID:	358174
PubChem CID:	127295719
Reduced:	N3O3C15H29 (1)
Stoich.:	A3B3C15D29 (1)
Weight, g/mol:	397.159076
ΔH_f, kcal/mol:	-148.34
Dipole, Da:	3.75
IP(EA), eV:	-8.96(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N(C)CC1CCCOC1)N2CCOCC2

DOS

IR

Vibrations