Geometry & MOs

Info

ID:	362951
PubChem CID:	127309957
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	6.74
IP(EA), eV:	-8.88(0.07)
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-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCN(CC3)CC(=O)N4CCCCC4

DOS

IR

Vibrations