Geometry & MOs

Info

ID:	256115
PubChem CID:	103137172
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	60.89
Dipole, Da:	2.94
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-ethylpiperidin-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC=C1Cl)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations