Geometry & MOs

Info

ID:	430661
PubChem CID:	135170727
Reduced:	BrNOC6H12 (1)
Stoich.:	ABCD6E12 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	2.55
IP(EA), eV:	-9.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(E)-1-[2-(methylideneamino)phenyl]prop-1-en-2-yl]phenoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CC(CCC1Br)O

DOS

IR

Vibrations