Geometry & MOs

Info

ID:	318784
PubChem CID:	126653234
Reduced:	NOC29H35 (1)
Stoich.:	ABC29D35 (1)
Weight, g/mol:	379.287515
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	1.33
IP(EA), eV:	-8.7(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-4-(4-benzylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations