Geometry & MOs

Info

ID:	175347
PubChem CID:	75885300
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-163.59
Dipole, Da:	6.39
IP(EA), eV:	-8.67(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-3-[(2-pyrazol-1-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(COC)NC(=O)NC(C)C1=C(C=C(C=C1)OC)OC

DOS

IR

Vibrations