Geometry & MOs

Info

ID:	221461
PubChem CID:	85273733
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-171.04
Dipole, Da:	7.42
IP(EA), eV:	-8.67(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-methoxy-4-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2CN(C)C)O

DOS

IR

Vibrations