Geometry & MOs

Info

ID:	47162
PubChem CID:	10530067
Reduced:	NOH37C38 (1)
Stoich.:	ABC37D38 (1)
Weight, g/mol:	523.168099
ΔH_f, kcal/mol:	62.69
Dipole, Da:	1.5
IP(EA), eV:	-8.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,3-diphenylpropyl(methyl)amino]propan-2-yl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC[C@]1(C2=CC=CC=C2N([C@]13C=C(C=C([C@H]3C(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=C(C=C6)C)C)C

DOS

IR

Vibrations