Geometry & MOs

Info

ID:	200189
PubChem CID:	79360516
Reduced:	FNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	4.57
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)NC(=O)C2=C(C=C(C=C2)C#CCO)F)C

DOS

IR

Vibrations