Geometry & MOs

Info

ID:	347454
PubChem CID:	127272303
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-101.33
Dipole, Da:	3.95
IP(EA), eV:	-9.51(-0.06)
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)methyl]urea

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations