Geometry & MOs

Info

ID:	319859
PubChem CID:	126657419
Reduced:	INO5C24H34 (1)
Stoich.:	ABC5D24E34 (1)
Weight, g/mol:	156.089878
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	3.82
IP(EA), eV:	-8.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(dimethylamino)-N-ethenyl-3-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@]1([C@H]([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)N=O)I)C

DOS

IR

Vibrations