Geometry & MOs

Info

ID:	293326
PubChem CID:	117384430
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	252.016492
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	4.36
IP(EA), eV:	-8.54(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanal

Drug info:

PubChemData

Smile

CC1(CCCN1)C2=CC(=CC(=C2O)CN(C)C)F

DOS

IR

Vibrations