Geometry & MOs

Info

ID:	145344
PubChem CID:	53504645
Reduced:	OSN7C15H17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	64.43
Dipole, Da:	2.92
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-3-ylmethyl)-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)N3CCC(CC3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations