Geometry & MOs

Info

ID:	256460
PubChem CID:	103139351
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	21.46
Dipole, Da:	3.11
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=CC=CC3=C2C=NC=C3)O)Cl

DOS

IR

Vibrations