Geometry & MOs

Info

ID:	388999
PubChem CID:	134990855
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	41.92
Dipole, Da:	4.43
IP(EA), eV:	-10.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methyl-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CC1(C(=N)N(C(=N)N(C1=O)C)C#N)C2=CCCCC2

DOS

IR

Vibrations