Geometry & MOs

Info

ID:	347379
PubChem CID:	127272228
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	3.3
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O

DOS

IR

Vibrations