Geometry & MOs

Info

ID:	440668
PubChem CID:	135230875
Reduced:	F3O3N4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-226.36
Dipole, Da:	2.35
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(1H-imidazol-5-yl)-4-propylheptan-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CC(=CN=C3)C4(CCC(C4)C(O)O)O

DOS

IR

Vibrations