Geometry & MOs

Info

ID:	322249
PubChem CID:	126669537
Reduced:	ClNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	458.233621
ΔH_f, kcal/mol:	16.32
Dipole, Da:	3.47
IP(EA), eV:	-8.71(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(4-chlorophenyl)methyl]-6,7-bis(ethenyl)-3,5-dihydro-2H-1,4-oxazepin-4-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CC1=C(OCC(NC1)CC2=CC=C(C=C2)Cl)C=C

DOS

IR

Vibrations