Geometry & MOs

Info

ID:	147592
PubChem CID:	53787248
Reduced:	OC20H34 (1)
Stoich.:	AB20C34 (1)
Weight, g/mol:	374.103335
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	1.72
IP(EA), eV:	-9.09(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)-N-methoxy-N-methyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCC=C(C)C#CCC(C)(C=C)O

DOS

IR

Vibrations