Geometry & MOs

Info

ID:	420720
PubChem CID:	135114702
Reduced:	ClNO3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-123.94
Dipole, Da:	3.4
IP(EA), eV:	-9.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5-methoxyphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)C2=CC=CC3=C2C=CC=C3Cl)CO

DOS

IR

Vibrations