Geometry & MOs

Info

ID:	347423
PubChem CID:	127272272
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	2.18
Dipole, Da:	5.65
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCNC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations