Geometry & MOs

Info

ID:	242453
PubChem CID:	96100216
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	4.03
IP(EA), eV:	-9.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methoxy-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NC=C1C(=O)N2CCO[C@@H](C2)C3=NNC(=N3)C)C

DOS

IR

Vibrations