Geometry & MOs

Info

ID:	384208
PubChem CID:	134976527
Reduced:	FSN2O6H25C27 (1)
Stoich.:	ABC2D6E25F27 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-141.5
Dipole, Da:	10.58
IP(EA), eV:	-9.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(3-methoxyphenyl)but-2-enal

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](N([C@H]1C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations