Geometry & MOs

Info

ID:	150427
PubChem CID:	53790117
Reduced:	N2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	336.032
ΔH_f, kcal/mol:	-23.26
Dipole, Da:	4.89
IP(EA), eV:	-10.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-dichlorophenyl)-6-(3-hydroxyprop-1-en-2-yl)benzoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C=C(C=O)C(=O)N

DOS

IR

Vibrations