Geometry & MOs

Info

ID:	352579
PubChem CID:	127283667
Reduced:	N3O4C15H23 (1)
Stoich.:	A3B4C15D23 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	5.7
IP(EA), eV:	-9.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopentyl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations