Geometry & MOs

Info

ID:	184886
PubChem CID:	77224385
Reduced:	Cl2N2O2C19H32 (1)
Stoich.:	A2B2C2D19E32 (1)
Weight, g/mol:	400.240916
ΔH_f, kcal/mol:	-168.16
Dipole, Da:	3.67
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-N-[5-(3-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(C)C)CN)O.Cl.Cl

DOS

IR

Vibrations