Geometry & MOs

Info

ID:	424341
PubChem CID:	135122292
Reduced:	ClO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-245.43
Dipole, Da:	2.25
IP(EA), eV:	-10.39(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F

DOS

IR

Vibrations