Geometry & MOs

Info

ID:	149700
PubChem CID:	53789374
Reduced:	N2O7H30C31 (1)
Stoich.:	A2B7C30D31 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	7.19
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-4-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CN=C2C=C1)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC(=O)C)OC)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations