Geometry & MOs

Info

ID:	221847
PubChem CID:	85291319
Reduced:	N3O3C12H25 (1)
Stoich.:	A3B3C12D25 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	4.08
IP(EA), eV:	-9.67(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-4-[2-(methoxymethyl)pyrrolidine-1-carbonyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)N(C)N

DOS

IR

Vibrations