Geometry & MOs

Info

ID:	71068
PubChem CID:	48414245
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	7.12
Dipole, Da:	2.83
IP(EA), eV:	-8.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=CC3=C2NC4=C3CCCC4

DOS

IR

Vibrations