Geometry & MOs

Info

ID:	146971
PubChem CID:	53776843
Reduced:	O5C24H26 (1)
Stoich.:	A5B24C26 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	5.49
IP(EA), eV:	-9.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-ethyl-3-pyridin-3-ylanilino)-2-propan-2-yloxycarbonylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(C(O1)C2=CC=CC=C2)C3C(C(CCC34CO4)OC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations