Geometry & MOs

Info

ID:	177043
PubChem CID:	76129285
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	463.167412
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	4.62
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(1-butoxyethenyl)-6-fluoro-2-(methoxymethoxy)phenyl]cyclopropyl]-3-(5-chloropyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC(C(=O)O)NC1=CC=CC=C1C(=O)CCC2=CN=CC=C2

DOS

IR

Vibrations