Geometry & MOs

Info

ID:	358236
PubChem CID:	127295781
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	387.232205
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	2.86
IP(EA), eV:	-9.32(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations