Geometry & MOs

Info

ID:	347447
PubChem CID:	127272296
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	3.86
IP(EA), eV:	-8.33(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations