Geometry & MOs

Info

ID:	375469
PubChem CID:	131529841
Reduced:	BrN4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	250.020828
ΔH_f, kcal/mol:	95.93
Dipole, Da:	2.91
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1=CN2C(=NC=C2C(C#N)N)C=C1Br

DOS

IR

Vibrations