Geometry & MOs

Info

ID:	128584
PubChem CID:	51051436
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	46.37
Dipole, Da:	0.88
IP(EA), eV:	-8.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC=C(N=C2OC)C#C

DOS

IR

Vibrations