Geometry & MOs

Info

ID:	233051
PubChem CID:	87691911
Reduced:	AsO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	341.246713
ΔH_f, kcal/mol:	50.81
Dipole, Da:	4.42
IP(EA), eV:	-8.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclohexylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)[As]

DOS

IR

Vibrations