Geometry & MOs

Info

ID:	416888
PubChem CID:	135090678
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	4.78
IP(EA), eV:	-9.14(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-(3,4-dimethylphenyl)propylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2CCC2

DOS

IR

Vibrations