Geometry & MOs

Info

ID:	242445
PubChem CID:	96100114
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	-22.55
Dipole, Da:	5.25
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)C[C@H](C)N3C=CC=C3

DOS

IR

Vibrations