Geometry & MOs

Info

ID:	359333
PubChem CID:	127298382
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	3.7
IP(EA), eV:	-8.82(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations