Geometry & MOs

Info

ID:	257041
PubChem CID:	103143225
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	30.83
Dipole, Da:	3.11
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations