Geometry & MOs

Info

ID:	260559
PubChem CID:	103195075
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	3.29
IP(EA), eV:	-9.53(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxiran-2-ylmethyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1CC(C1)(CN)C(=O)N2CCCC(C2)C(=O)NC

DOS

IR

Vibrations