Geometry & MOs

Info

ID:	358842
PubChem CID:	127296713
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	12.77
Dipole, Da:	8.16
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-(4-phenylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCC(CC3)CN4CCCC4

DOS

IR

Vibrations