Geometry & MOs

Info

ID:	237487
PubChem CID:	92719340
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	3.77
IP(EA), eV:	-8.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-7-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)-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=C(C=C3)C)CC(=O)N4CCCCC4)C

DOS

IR

Vibrations