Geometry & MOs

Info

ID:	168887
PubChem CID:	75037223
Reduced:	N3O5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	363.168188
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	4.15
IP(EA), eV:	-8.59(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(4-hydroxybutoxy)-6-(methylcarbamoyl)-3,4-dihydro-2H-pyran-4-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CNNC(=O)C2=CC=C(C=C2)C(=O)NO)C(=O)C(=C1)O

DOS

IR

Vibrations