Geometry & MOs

Info

ID:	223684
PubChem CID:	85335416
Reduced:	ClN2O2C11H16 (2)
Stoich.:	AB2C2D11E16 (2)
Weight, g/mol:	495.135944
ΔH_f, kcal/mol:	-190.64
Dipole, Da:	2.92
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[3-(3-chloroanilino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)CNC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations