Geometry & MOs

Info

ID:	178882
PubChem CID:	76395919
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	1.73
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylideneamino)-6-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C(=O)NCCO)NC(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations