Geometry & MOs

Info

ID:	348287
PubChem CID:	127273352
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	-38.42
Dipole, Da:	2.91
IP(EA), eV:	-9.09(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations