Geometry & MOs

Info

ID:	347455
PubChem CID:	127272304
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	4.3
IP(EA), eV:	-9.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations