Geometry & MOs

Info

ID:	315162
PubChem CID:	126624711
Reduced:	N2F3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	6.91
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[methyl-[2-[(3-nitroanilino)methyl]cyclopropyl]amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)C1=C2C=CC(=CC2=NN1)C(F)(F)F

DOS

IR

Vibrations