Geometry & MOs

Info

ID:	122442
PubChem CID:	50807129
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-157.33
Dipole, Da:	8.48
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-dioxan-2-ylmethyl(methyl)amino]-5-(propanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CN(CC1COCCO1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations