Geometry & MOs

Info

ID:	126201
PubChem CID:	50955338
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	5.81
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-2-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethylamino]butanamide

Drug info:

PubChemData

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CC1=C(SC2=NC=NC(=C12)N3C[C@@H]([C@H](C3)OC(C)C)O)C

DOS

IR

Vibrations