Geometry & MOs

Info

ID:	256030
PubChem CID:	103136518
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	4.38
IP(EA), eV:	-8.55(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)C#CCN)C

DOS

IR

Vibrations