Geometry & MOs

Info

ID:	49931
PubChem CID:	11538227
Reduced:	SO9C15H28 (1)
Stoich.:	AB9C15D28 (1)
Weight, g/mol:	384.206245
ΔH_f, kcal/mol:	-424.55
Dipole, Da:	3.54
IP(EA), eV:	-9.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[5-[(piperidin-4-ylmethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)O[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

DOS

IR

Vibrations