Geometry & MOs

Info

ID:	59138
PubChem CID:	24771171
Reduced:	ON3C12H15 (3)
Stoich.:	AB3C12D15 (3)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	3.48
IP(EA), eV:	-8.12(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dihydroxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)NCCC4=CN(C=N4)C(C)C)NCC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations