Geometry & MOs

Info

ID:	237455
PubChem CID:	92719261
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	2.29
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@@H]1C3=CC=CC=C3)CC(=O)NC4=CC=CC(=C4C)C)C

DOS

IR

Vibrations