Geometry & MOs

Info

ID:	234727
PubChem CID:	92303386
Reduced:	ClFON4C19H22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	408.220164
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	5.0
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(4-tert-butylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)C(=NN2)C(=O)N/N=C/C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations