Geometry & MOs

Info

ID:	446848
PubChem CID:	135278190
Reduced:	FNSO7C33H36 (1)
Stoich.:	ABCD7E33F36 (1)
Weight, g/mol:	425.12017
ΔH_f, kcal/mol:	-250.3
Dipole, Da:	8.29
IP(EA), eV:	-8.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(bromomethyl)-4-[4-(oxan-2-yloxymethyl)piperidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COCCOC1CN(C1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)F

DOS

IR

Vibrations