Geometry & MOs

Info

ID:	256038
PubChem CID:	103136570
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	11.65
Dipole, Da:	2.74
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-isoquinolin-8-yl-2,3-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CCCCC(CC)C(C1=CC=CC2=C1C=NC=C2)NCC

DOS

IR

Vibrations