Geometry & MOs

Info

ID:	358327
PubChem CID:	127295872
Reduced:	N3O3C21H35 (1)
Stoich.:	A3B3C21D35 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-176.76
Dipole, Da:	4.83
IP(EA), eV:	-9.34(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations