Geometry & MOs

Info

ID:	330708
PubChem CID:	127248115
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	6.87
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetylpiperidin-3-yl)methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)C2=CC(=NC(=N2)C)C3(CCN(CC3)C(=O)C)C

DOS

IR

Vibrations