Geometry & MOs

Info

ID:	237465
PubChem CID:	92719280
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	2.1
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-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)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations