Geometry & MOs

Info

ID:	369163
PubChem CID:	127331456
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	4.06
IP(EA), eV:	-9.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=NC(=NC=C3)C

DOS

IR

Vibrations