Geometry & MOs

Info

ID:	242454
PubChem CID:	96100219
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	2.41
IP(EA), eV:	-9.19(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations