Geometry & MOs

Info

ID:	130164
PubChem CID:	51075122
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	7.75
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CCN2C=NC=N2

DOS

IR

Vibrations