Geometry & MOs

Info

ID:	188410
PubChem CID:	77712685
Reduced:	N2Cl3O4H11C14 (1)
Stoich.:	A2B3C4D11E14 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	6.63
IP(EA), eV:	-9.5(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl)-3-(3-ethylphenyl)-1-phenylurea

Drug info:

PubChemData

Smile

C1=C2C(=C(C(=C1Cl)Cl)C3C(C(C(O3)CO)O)O)C(=C(N2)Cl)C#N

DOS

IR

Vibrations