Geometry & MOs

Info

ID:	330700
PubChem CID:	127248107
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	3.14
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=NC(=NC(=C1)C)C2(CCN(CC2)C(=O)C)C

DOS

IR

Vibrations