Geometry & MOs

Info

ID:	425719
PubChem CID:	135127601
Reduced:	ClFNSO4H31C32 (1)
Stoich.:	ABCDE4F31G32 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	2.46
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylaminooxy)benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)C2=CC=C(C=C2)/C(=C/C=C(\C)/C3=C(C=C(S3)F)NC(=O)O[C@H](C)C4=CC=C(C=C4)Cl)/C=C

DOS

IR

Vibrations