Geometry & MOs

Info

ID:	347453
PubChem CID:	127272302
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	4.42
IP(EA), eV:	-9.56(-0.33)
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-[(3-methylcyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)C4=CC=C(C=C4)F

DOS

IR

Vibrations