Geometry & MOs

Info

ID:	342680
PubChem CID:	127265840
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	3.29
IP(EA), eV:	-9.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxan-2-ylmethyl)-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC1(CC1)C2=NC=CC(=N2)NC(=O)NC(CCCO)C3=CC=CC=C3

DOS

IR

Vibrations