Geometry & MOs

Info

ID:	358125
PubChem CID:	127295670
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	2.97
IP(EA), eV:	-9.29(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations