Geometry & MOs

Info

ID:	133279
PubChem CID:	51503540
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	3.13
IP(EA), eV:	-8.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1'-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3(CCN(CC3)C[C@H](C4=CNC5=C4C=CC(=C5)C)O)C[C@@H]2O

DOS

IR

Vibrations