Geometry & MOs

Info

ID:	330696
PubChem CID:	127248103
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-59.49
Dipole, Da:	8.49
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)CC2=NC=CN=C2C(=O)N3CCCC3

DOS

IR

Vibrations