Geometry & MOs

Info

ID:	195800
PubChem CID:	78732542
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	410.207981
ΔH_f, kcal/mol:	-113.58
Dipole, Da:	4.69
IP(EA), eV:	-8.18(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CC4=CC=CC=C4CC3C(=O)OC

DOS

IR

Vibrations