Geometry & MOs

Info

ID:	175996
PubChem CID:	75980183
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	302.070972
ΔH_f, kcal/mol:	26.98
Dipole, Da:	4.88
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl 3-(4-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=N1)CNC2=NC(=O)C3C=NN(C3=N2)C

DOS

IR

Vibrations