Geometry & MOs

Info

ID:	249652
PubChem CID:	103091155
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-6.37
Dipole, Da:	0.86
IP(EA), eV:	-8.21(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(4-methyl-3-nitrophenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C(/C)\C(C)O)C3=CC=CC=C31

DOS

IR

Vibrations