Geometry & MOs

Info

ID:	60937
PubChem CID:	26703362
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	393.194008
ΔH_f, kcal/mol:	-135.29
Dipole, Da:	2.57
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations