Geometry & MOs

Info

ID:	256458
PubChem CID:	103139342
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	3.17
IP(EA), eV:	-9.17(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4,5-trimethylpiperazin-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCC(C1=CN(N=C1)CC2CCC(O2)C)N

DOS

IR

Vibrations