Geometry & MOs

Info

ID:	25734
PubChem CID:	629798
Reduced:	O4C31H46 (1)
Stoich.:	A4B31C46 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-206.31
Dipole, Da:	3.19
IP(EA), eV:	-9.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2,2-dimethylpropanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(CC(=O)CC(=C)C(=O)OC)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C

DOS

IR

Vibrations