Geometry & MOs

Info

ID:	347392
PubChem CID:	127272241
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	4.47
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(dimethylamino)cycloheptyl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)C4=CC=CS4

DOS

IR

Vibrations