Geometry & MOs

Info

ID:	224303
PubChem CID:	85341220
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	290.01676
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	5.65
IP(EA), eV:	-8.19(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4-phenylpentan-3-ol

Drug info:

PubChemData

Smile

CC(C)N(C)C=CC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

DOS

IR

Vibrations