Geometry & MOs

Info

ID:	123438
PubChem CID:	50847502
Reduced:	OF2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	394.160518
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	2.45
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=CN=C2C3=CC(=CC=C3)C(=O)NCC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations