Geometry & MOs

Info

ID:	227081
PubChem CID:	87560113
Reduced:	NC4O4H7 (2)
Stoich.:	AB4C4D7 (2)
Weight, g/mol:	469.309313
ΔH_f, kcal/mol:	-370.54
Dipole, Da:	10.6
IP(EA), eV:	-9.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[(dimethylamino)methyl]phenyl]-3-[6-[3-(dimethylamino)propyl-methylamino]-2-methyl-3-phenylphenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C(CC(=O)O)[C@@H](C(=O)[O-])NC(C(=O)O)C(=O)O.[NH4+]

DOS

IR

Vibrations