Geometry & MOs

Info

ID:	358140
PubChem CID:	127295685
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	3.39
IP(EA), eV:	-9.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3)F

DOS

IR

Vibrations