Geometry & MOs

Info

ID:	156723
PubChem CID:	56371914
Reduced:	BrFON4C20H20 (1)
Stoich.:	ABCD4E20F20 (1)
Weight, g/mol:	413.202717
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	1.7
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=C(C=C(C=C4)F)Br

DOS

IR

Vibrations