Geometry & MOs

Info

ID:	256042
PubChem CID:	103136594
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	0.37
IP(EA), eV:	-8.2(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)CC(C)N)OC

DOS

IR

Vibrations