Geometry & MOs

Info

ID:	358153
PubChem CID:	127295698
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	383.143426
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	3.72
IP(EA), eV:	-8.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=CC=C(C=C2)CN3CCOCC3

DOS

IR

Vibrations