Geometry & MOs

Info

ID:	194381
PubChem CID:	78525865
Reduced:	ClNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	2.56
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations