Geometry & MOs

Info

ID:	330693
PubChem CID:	127248100
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	4.2
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetylpyrrolidin-3-yl)methyl]-N-cyclohexyl-N-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=NC=CN=C2CC3CCN(C3)C(=O)C

DOS

IR

Vibrations