Geometry & MOs

Info

ID:	41926
PubChem CID:	8147844
Reduced:	NO4H18C23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	373.131408
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.543880
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethoxynaphthalen-1-yl)but-3-enoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations