Geometry & MOs

Info

ID:	398889
PubChem CID:	135036088
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	2.43
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butan-2-one

Drug info:

PubChemData

Smile

CCC(CC)C[C@@]1(C2=C(C=CC(=C2)C(=O)OC)N(C1=O)C)C

DOS

IR

Vibrations