Geometry & MOs

Info

ID:	189306
PubChem CID:	77840363
Reduced:	OCl2N2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	415.235873
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	6.96
IP(EA), eV:	-8.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3-propan-2-ylcyclohexyl) 3-acetyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1CC2CCC(C(C1)C2OC3=CC(=C(C=C3)Cl)Cl)N(C)C

DOS

IR

Vibrations