Geometry & MOs

Info

ID:	394165
PubChem CID:	135022442
Reduced:	NOH4C5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	2.7
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-butyl-1,2-dihydro-3-benzoxocin-4-one

Drug info:

PubChemData

Smile

COC(=O)CC1(C=C(C(=C(C1(C#N)C#N)N)C#N)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations