Geometry & MOs

Info

ID:	237470
PubChem CID:	92719294
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	2.07
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-4-[2-oxo-2-(prop-2-enylamino)ethyl]-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)NCCOC)C

DOS

IR

Vibrations