Geometry & MOs

Info

ID:	173215
PubChem CID:	75611602
Reduced:	OCl2N7H15C19 (1)
Stoich.:	AB2C7D15E19 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	172.98
Dipole, Da:	5.22
IP(EA), eV:	-9.05(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC3=NON=C3N=C2NN=CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations