Geometry & MOs

Info

ID:	355500
PubChem CID:	127288563
Reduced:	O3N4C17H30 (1)
Stoich.:	A3B4C17D30 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	-143.47
Dipole, Da:	7.41
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(CN1CCC(CC1)CN(C)CC2=CC(=O)N(C(=O)N2C)C)O

DOS

IR

Vibrations