Geometry & MOs

Info

ID:	298697
PubChem CID:	117654043
Reduced:	BrSN5O5H22C23 (1)
Stoich.:	ABC5D5E22F23 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	4.4
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2H-pyrazin-1-yl)-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=C(C4=C(N=CN34)Br)[C@H]5C[C@H](CN5C(=O)C)OC(=O)C

DOS

IR

Vibrations