Geometry & MOs

Info

ID:	44094
PubChem CID:	10500683
Reduced:	ClN3O3H14C21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	391.109897
ΔH_f, kcal/mol:	8.5
Dipole, Da:	2.05
IP(EA), eV:	-8.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-3-[(1R,2R)-2-(6-fluoro-2-methoxy-3-propanoylphenyl)cyclopropyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/N(C2=CC=CC=C2)C(=O)N3C4=C(C=CC(=C4)Cl)OC3=O

DOS

IR

Vibrations