Geometry & MOs

Info

ID:	121002
PubChem CID:	50753021
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-2.51
Dipole, Da:	4.61
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N1CC=C)CCC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations