Geometry & MOs

Info

ID:	256172
PubChem CID:	103137525
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	50.96
Dipole, Da:	5.23
IP(EA), eV:	-8.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-ethylpiperidin-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1CN(CCSC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations