Geometry & MOs

Info

ID:	256201
PubChem CID:	103137674
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	52.62
Dipole, Da:	2.24
IP(EA), eV:	-7.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-pyridin-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations