Geometry & MOs

Info

ID:	189335
PubChem CID:	77842068
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-212.57
Dipole, Da:	4.13
IP(EA), eV:	-9.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-aminopropanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCC1CC(=O)C2(C1C3CCC4C(C(=O)CCC4(C3CC2)C)OC(=O)CC)C

DOS

IR

Vibrations