Geometry & MOs

Info

ID:	330647
PubChem CID:	127248054
Reduced:	FN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-192.58
Dipole, Da:	5.45
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCC(C2)(CN3CCOCC3)O)F

DOS

IR

Vibrations