Geometry & MOs

Info

ID:	27928
PubChem CID:	824182
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	5.88
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)O

DOS

IR

Vibrations