Geometry & MOs

Info

ID:	359840
PubChem CID:	127299884
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	4.04
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCOC(C2)CN3C=NC=N3)C4=CC=CC=C4

DOS

IR

Vibrations