Geometry & MOs

Info

ID:	242449
PubChem CID:	96100148
Reduced:	O3N6C15H20 (1)
Stoich.:	A3B6C15D20 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	1.4
IP(EA), eV:	-9.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)[C@@H]2CCCN(C2)C(=O)CN3C(=O)C=CC(=O)N3

DOS

IR

Vibrations