Geometry & MOs

Info

ID:	401188
PubChem CID:	135050524
Reduced:	AlO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-242.22
Dipole, Da:	4.94
IP(EA), eV:	-10.58(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1CC(=O)OC1(C)C(=O)O[Al](C)C

DOS

IR

Vibrations