Geometry & MOs

Info

ID:	54561
PubChem CID:	17388896
Reduced:	ClN2O4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	373.152537
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	9.99
IP(EA), eV:	-7.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;oxalic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

DOS

IR

Vibrations