Geometry & MOs

Info

ID:	358162
PubChem CID:	127295707
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	3.52
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(3-phenylprop-2-ynyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations