Geometry & MOs

Info

ID:	297033
PubChem CID:	117606559
Reduced:	ClFN2O2C21H24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	381.136781
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	5.64
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[[(1R)-1-[3-(5-aminopyrazin-2-yl)oxy-4-chloro-2-fluorophenyl]propyl]amino]propyl]formamide

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=C(C=C1)Cl)OC2=CC=CC=C2)F)N[C@H](CC(=O)N)C3CC3

DOS

IR

Vibrations