Geometry & MOs

Info

ID:	392323
PubChem CID:	135014486
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	211.17949
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	2.18
IP(EA), eV:	-8.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-9-deuterio-1,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC2=CC=CC=C2C=C1)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations