Geometry & MOs

Info

ID:	126819
PubChem CID:	50980066
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	3.86
IP(EA), eV:	-8.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-morpholin-4-ylcyclopentyl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC=C1)N2CCC(CC2)N3CCCCC3

DOS

IR

Vibrations