Geometry & MOs

Info

ID:	427901
PubChem CID:	135165290
Reduced:	ClNO3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	5.86
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[(Z)-but-2-enoyl]anilino)acetic acid

Drug info:

PubChemData

Smile

C[C@]12[C@H]3C[C@H](C3(C)C)C[C@H]1ON(O2)[C@@H](CC4=COC5=CC=CC=C54)Cl

DOS

IR

Vibrations