Geometry & MOs

Info

ID:	435882
PubChem CID:	135192674
Reduced:	NO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	2.19
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-hex-1-enyl]-2-propan-2-yl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCC/C=C/C1=C2C(=CC=C1)N(C(=O)C(O2)C(C)C)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations