Geometry & MOs

Info

ID:	435952
PubChem CID:	135192969
Reduced:	ClFIO3N4H19C21 (1)
Stoich.:	ABCD3E4F19G21 (1)
Weight, g/mol:	430.13203
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	3.78
IP(EA), eV:	-9.06(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3-(2-chloro-4-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-(nitrosomethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)N4CC[C@](C4)(C5=C(C=C(C=C5)F)Cl)I

DOS

IR

Vibrations