Geometry & MOs

Info

ID:	172202
PubChem CID:	75479281
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	4.55
IP(EA), eV:	-8.79(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCC(CC2)C3=NN=C4N3CCC4

DOS

IR

Vibrations