Geometry & MOs

Info

ID:	358103
PubChem CID:	127295648
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-140.47
Dipole, Da:	5.09
IP(EA), eV:	-9.39(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations