Geometry & MOs

Info

ID:	306061
PubChem CID:	125001497
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	400.251464
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	2.32
IP(EA), eV:	-9.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3aS,6aR)-2-benzylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,1'-cyclohexane]-5-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1CO[C@H](CN1C(=O)CC2=CC=CC=C2)CC3=CN=CC=C3

DOS

IR

Vibrations