Geometry & MOs

Info

ID:	181788
PubChem CID:	76792170
Reduced:	ClN2O2C26H45 (1)
Stoich.:	AB2C2D26E45 (1)
Weight, g/mol:	472.285656
ΔH_f, kcal/mol:	-164.88
Dipole, Da:	5.09
IP(EA), eV:	-9.11(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-[(3-cyclohexa-1,3-dien-1-yl-4-hydroxybutyl)amino]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2CCC(=CC2)Cl)O)NCCC3CCCCC3

DOS

IR

Vibrations