Geometry & MOs

Info

ID:	347391
PubChem CID:	127272240
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-94.42
Dipole, Da:	3.06
IP(EA), eV:	-8.72(0.12)
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-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O)N3CCCCC3

DOS

IR

Vibrations