Geometry & MOs

Info

ID:	123437
PubChem CID:	50847368
Reduced:	BrOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	394.160518
ΔH_f, kcal/mol:	22.08
Dipole, Da:	1.78
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(SC3=NC=NC(=C23)N4CCCCC4)C

DOS

IR

Vibrations