Geometry & MOs

Info

ID:	415761
PubChem CID:	135088761
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	6.7
IP(EA), eV:	-9.14(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-hydroxyphenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC3=CC=C(O3)C(=O)N(C)C

DOS

IR

Vibrations