Geometry & MOs

Info

ID:	170169
PubChem CID:	75205095
Reduced:	O3N6H24C28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	352.158706
ΔH_f, kcal/mol:	67.66
Dipole, Da:	6.51
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[1-(2-fluorophenyl)ethylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NNC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations