Geometry & MOs

Info

ID:	444237
PubChem CID:	135261825
Reduced:	N3O4H9C15 (1)
Stoich.:	A3B4C9D15 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	6.65
IP(EA), eV:	-9.72(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)O

DOS

IR

Vibrations