Geometry & MOs

Info

ID:	365292
PubChem CID:	127317654
Reduced:	ON7C16H25 (1)
Stoich.:	AB7C16D25 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	42.07
Dipole, Da:	5.49
IP(EA), eV:	-9.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCN(CC1)CCN2C=CC=N2)N3C=NC=N3

DOS

IR

Vibrations