Geometry & MOs

Info

ID:	312672
PubChem CID:	126607259
Reduced:	ClNPO4C24H29 (1)
Stoich.:	ABCD4E24F29 (1)
Weight, g/mol:	347.90257
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	3.02
IP(EA), eV:	-9.4(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(iodomethyl)phenyl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OP(=O)(N[C@@H](C(C)C)C(=O)OCCC2=CC=CC=C2)Cl)/C=C\C=C

DOS

IR

Vibrations