Geometry & MOs

Info

ID:	283312
PubChem CID:	103973492
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	2.33
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-4-propan-2-yloxybutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations