Geometry & MOs

Info

ID:	369476
PubChem CID:	127334137
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	368.151826
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	10.61
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CC(CC2=O)C(=O)N(C)C3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations