Geometry & MOs

Info

ID:	139173
PubChem CID:	52485050
Reduced:	FO2N4H24C26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	260.108026
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.045036
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[(3-chlorophenyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C[N+]3=CC=CC=C3N2)C(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations