Geometry & MOs

Info

ID:	155172
PubChem CID:	56320912
Reduced:	O2F3N5C20H24 (1)
Stoich.:	A2B3C5D20E24 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-187.32
Dipole, Da:	3.63
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-phenylmethoxypyridin-3-yl)-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CN=C(C=C2)OCC(F)(F)F)CCC3=CC=NC=C3

DOS

IR

Vibrations