Geometry & MOs

Info

ID:	365003
PubChem CID:	127316653
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-52.34
Dipole, Da:	4.52
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenoxy]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CS2)C(=O)N3CC4CCCN4CC3C

DOS

IR

Vibrations