Geometry & MOs

Info

ID:	45433
PubChem CID:	10513284
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	3.44
IP(EA), eV:	-8.96(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-butylidene-5,7,8,9,10,10a-hexahydro-1H-pyrido[2,1-c][1,4]oxazepin-3-one

Drug info:

PubChemData

Smile

CCC(C(C1=CC=CC=C1)O)NC(C)CO

DOS

IR

Vibrations