Geometry & MOs

Info

ID:	234015
PubChem CID:	92297540
Reduced:	FNO6H14C19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	423.168188
ΔH_f, kcal/mol:	-190.75
Dipole, Da:	4.62
IP(EA), eV:	-9.34(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)F)OCC(=O)O

DOS

IR

Vibrations