Geometry & MOs

Info

ID:	234728
PubChem CID:	92303390
Reduced:	ON2C28H28 (1)
Stoich.:	AB2C28D28 (1)
Weight, g/mol:	408.220164
ΔH_f, kcal/mol:	40.9
Dipole, Da:	4.95
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-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)C1=CC=C(C=C1)[C@@H]2C3=CC=CN3CCN2C(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations