Geometry & MOs

Info

ID:	415808
PubChem CID:	135088809
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	6.64
IP(EA), eV:	-8.78(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CCN2C=CN=C2)N3CCCCC3

DOS

IR

Vibrations