Geometry & MOs

Info

ID:	436783
PubChem CID:	135211424
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	476.340279
ΔH_f, kcal/mol:	-105.67
Dipole, Da:	4.73
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[3-[(E)-2,3-dimethyl-4-(2-methylphenyl)pent-3-en-2-yl]-4-ethenylphenoxy]ethyl]piperazin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(C2)(C)OCCN3CCN(C(=O)C3)C)C(=O)C4=C1OC5=CC=CC=C54)C

DOS

IR

Vibrations