Geometry & MOs

Info

ID:	343192
PubChem CID:	127266365
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	4.87
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylphenyl)-3-[1-(2-hydroxyethyl)-6-oxopyridin-3-yl]urea

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)NC(=O)NC2=CN(C(=O)C=C2)CCO)C

DOS

IR

Vibrations