Geometry & MOs

Info

ID:	330077
PubChem CID:	127247064
Reduced:	ON2C5H6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	338.191818
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	4.7
IP(EA), eV:	-8.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)C3=CNC(=O)NC3=O

DOS

IR

Vibrations