Geometry & MOs

Info

ID:	436981
PubChem CID:	135213481
Reduced:	N2O8C33H40 (1)
Stoich.:	A2B8C33D40 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-273.42
Dipole, Da:	2.54
IP(EA), eV:	-7.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H](C[C@H]5C(=O)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3

DOS

IR

Vibrations