Geometry & MOs

Info

ID:	237458
PubChem CID:	92719265
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	1.75
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-4-[2-(4-methylanilino)-2-oxoethyl]-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C(=C([C@H](N3C2=NC=N3)C4=CC=CC=C4)C(=O)OCC)C

DOS

IR

Vibrations