Geometry & MOs

Info

ID:	358925
PubChem CID:	127296816
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	5.12
IP(EA), eV:	-9.33(0.68)
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-methylcyclohexyl)urea

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCC(CC2)N3C=CN=C3

DOS

IR

Vibrations