Geometry & MOs

Info

ID:	421051
PubChem CID:	135115288
Reduced:	O4N7C33H45 (1)
Stoich.:	A4B7C33D45 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-88.84
Dipole, Da:	6.25
IP(EA), eV:	-8.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)CC4=CC(=C(C=C4)OC)CN5CCCC5

DOS

IR

Vibrations