Geometry & MOs

Info

ID:	395927
PubChem CID:	135026929
Reduced:	ClO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	418.99185
ΔH_f, kcal/mol:	-148.35
Dipole, Da:	2.89
IP(EA), eV:	-9.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-3-cyclopropyl-5-hydroxy-N,N-di(propan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1[C@H](C[C@@](OC1=O)(CC=C)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations