Geometry & MOs

Info

ID:	39879
PubChem CID:	8142672
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	354.218152
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	4.51
IP(EA), eV:	-8.65(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)CC(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations