Geometry & MOs

Info

ID:	358342
PubChem CID:	127295887
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-169.74
Dipole, Da:	7.17
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(oxan-3-ylmethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N(C)CC3CCCOC3)O)C

DOS

IR

Vibrations