Geometry & MOs

Info

ID:	379321
PubChem CID:	134358067
Reduced:	O4N5C16H19 (1)
Stoich.:	A4B5C16D19 (1)
Weight, g/mol:	338.01676
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	10.43
IP(EA), eV:	-9.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-2-(4-methylphenyl)-2-phenylethanol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN=C(O2)[C@H](CC(=O)N)NC(=O)NCC=C

DOS

IR

Vibrations