Geometry & MOs

Info

ID:	192612
PubChem CID:	78291050
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	6.04
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

C=CCOC(=O)C(=CC1=CC=CC=C1OCC2=CC=CC=C2)C#N

DOS

IR

Vibrations