Geometry & MOs

Info

ID:	370780
PubChem CID:	127340562
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-126.7
Dipole, Da:	2.98
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohex-3-en-1-yl-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CNC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations