Geometry & MOs

Info

ID:	184356
PubChem CID:	77150491
Reduced:	ClF2O2N5C27H36 (1)
Stoich.:	AB2C2D5E27F36 (1)
Weight, g/mol:	217.032422
ΔH_f, kcal/mol:	-130.53
Dipole, Da:	0.67
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC(CF)N)C(C1=NCN(N1CC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)F)C(C)(C)C)O

DOS

IR

Vibrations