Geometry & MOs

Info

ID:	294400
PubChem CID:	117458985
Reduced:	BrOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	284.04119
ΔH_f, kcal/mol:	39.56
Dipole, Da:	2.9
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CSC1=C(C(=CC=C1)Br)C2=NOC(=C2)N

DOS

IR

Vibrations