Geometry & MOs

Info

ID:	174779
PubChem CID:	75813443
Reduced:	OSN4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	35.31
Dipole, Da:	6.35
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(furan-2-ylmethyl)-1-methylurea

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)N4CCCC4C5=CC=CS5

DOS

IR

Vibrations