Geometry & MOs

Info

ID:	242463
PubChem CID:	96100261
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	4.62
IP(EA), eV:	-9.25(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C[C@H](C)C(=O)N2CCO[C@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations