Geometry & MOs

Info

ID:	180620
PubChem CID:	76661481
Reduced:	BrINOH5C7 (1)
Stoich.:	ABCDE5F7 (1)
Weight, g/mol:	358.168128
ΔH_f, kcal/mol:	47.6
Dipole, Da:	1.8
IP(EA), eV:	-9.49(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-3-[3-(hydroxyiminomethyl)phenyl]azetidin-3-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=NO)Br)I

DOS

IR

Vibrations