Geometry & MOs

Info

ID:	234016
PubChem CID:	92297543
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	423.168188
ΔH_f, kcal/mol:	-141.43
Dipole, Da:	1.95
IP(EA), eV:	-8.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CO4)OC)OC

DOS

IR

Vibrations