Geometry & MOs

Info

ID:	368711
PubChem CID:	127329920
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	4.79
IP(EA), eV:	-8.39(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[2-(thiophene-2-carbonylamino)ethyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NCC2=CN=C(C=C2)N3CCN(CC3)CC

DOS

IR

Vibrations