Geometry & MOs

Info

ID:	395261
PubChem CID:	135025037
Reduced:	NO6C22H29 (1)
Stoich.:	AB6C22D29 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-222.79
Dipole, Da:	7.05
IP(EA), eV:	-9.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4aS,8aR)-4a-(2,3-dimethoxyphenyl)-2-methyl-3-oxo-4,7,8,8a-tetrahydro-1H-isoquinoline-1-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@]1(C=CCC[C@H]1C2COC(=O)N2C)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations