Geometry & MOs

Info

ID:	221391
PubChem CID:	85272356
Reduced:	N2O5C9H18 (1)
Stoich.:	A2B5C9D18 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-236.85
Dipole, Da:	2.99
IP(EA), eV:	-9.71(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-1,7-dioxo-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OC)CO)N)O

DOS

IR

Vibrations