Geometry & MOs

Info

ID:	297050
PubChem CID:	117607150
Reduced:	BrClO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	594.14961
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	3.56
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(5-bromo-4-chloro-2-methoxyphenyl)methyl-[(4-methoxy-2-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CO)Br)Cl

DOS

IR

Vibrations