Geometry & MOs

Info

ID:	359068
PubChem CID:	127297312
Reduced:	SN6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	371.185844
ΔH_f, kcal/mol:	100.96
Dipole, Da:	1.56
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4CC4)N5CCCC(C5)CN6C=NC=N6

DOS

IR

Vibrations