Geometry & MOs

Info

ID:	81049
PubChem CID:	49854289
Reduced:	OF3N3C14H24 (1)
Stoich.:	AB3C3D14E24 (1)
Weight, g/mol:	335.293663
ΔH_f, kcal/mol:	-228.96
Dipole, Da:	4.6
IP(EA), eV:	-9.11(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-(4-cyclohexylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations