Geometry & MOs

Info

ID:	358477
PubChem CID:	127296073
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	13.29
Dipole, Da:	5.23
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-yl-N-[2-(thiophene-2-carbonylamino)ethyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations