Geometry & MOs

Info

ID:	344102
PubChem CID:	127267278
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	333.130026
ΔH_f, kcal/mol:	-90.07
Dipole, Da:	4.22
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NC2CCCN(C2=O)O

DOS

IR

Vibrations