Geometry & MOs

Info

ID:	330057
PubChem CID:	127247044
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	42.79
Dipole, Da:	2.59
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations