Geometry & MOs

Info

ID:	434595
PubChem CID:	135175287
Reduced:	ClN3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	311.052463
ΔH_f, kcal/mol:	44.73
Dipole, Da:	2.77
IP(EA), eV:	-9.01(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropanoic acid

Drug info:

PubChemData

Smile

CC(=NCC1=CC=CC=C1Cl)NC=NC

DOS

IR

Vibrations