Geometry & MOs

Info

ID:	358292
PubChem CID:	127295837
Reduced:	O2F3N4C14H21 (1)
Stoich.:	A2B3C4D14E21 (1)
Weight, g/mol:	335.257277
ΔH_f, kcal/mol:	-230.36
Dipole, Da:	5.29
IP(EA), eV:	-9.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(2-methylcyclopentyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=NC=CN2CC(F)(F)F

DOS

IR

Vibrations