Geometry & MOs

Info

ID:	203494
PubChem CID:	79837836
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	243.107085
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	2.97
IP(EA), eV:	-8.58(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-difluoro-4-(2-methylpropylamino)benzoate

Drug info:

PubChemData

Smile

CCNC1CC(C2=C(C=CC(=C12)Br)OCC)(C)C

DOS

IR

Vibrations