Geometry & MOs

Info

ID:	256085
PubChem CID:	103136932
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	13.21
Dipole, Da:	4.42
IP(EA), eV:	-8.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations