Geometry & MOs

Info

ID:	137867
PubChem CID:	52274838
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	341.153955
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	3.34
IP(EA), eV:	-8.29(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[(2-fluorophenyl)methylcarbamoylamino]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)N[C@@H](C)C2=CC(=C(C=C2)OC(C)C)OC

DOS

IR

Vibrations