Geometry & MOs

Info

ID:	186397
PubChem CID:	77426967
Reduced:	N7O10C26H55 (1)
Stoich.:	A7B10C26D55 (1)
Weight, g/mol:	198.019605
ΔH_f, kcal/mol:	-482.0
Dipole, Da:	5.56
IP(EA), eV:	-9.36(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-3aH-indazol-3-one

Drug info:

PubChemData

Smile

CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC(C(CCCCNCC(CO)O)N)O)N)N=C(C(CCN)O)N)O

DOS

IR

Vibrations