Geometry & MOs

Info

ID:	50568
PubChem CID:	12013116
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	4.13
Dipole, Da:	4.28
IP(EA), eV:	-9.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H]2C(=O)NC(N2CC3=CC=CC=C3)C4=COC=C4

DOS

IR

Vibrations