Geometry & MOs

Info

ID:	438736
PubChem CID:	135228489
Reduced:	F3N3O4C26H28 (1)
Stoich.:	A3B3C4D26E28 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-259.12
Dipole, Da:	8.66
IP(EA), eV:	-9.11(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-6-methyl-3-propan-2-yl-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN(N=C4)CC(F)(F)F)C(C)(C)C

DOS

IR

Vibrations