Geometry & MOs

Info

ID:	126919
PubChem CID:	50984480
Reduced:	OSN7C17H23 (1)
Stoich.:	ABC7D17E23 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	62.37
Dipole, Da:	6.05
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(3-methoxyphenyl)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2S1)CNC(=O)C3=NN4CCCN(CC4=C3)C(C)C

DOS

IR

Vibrations