Geometry & MOs

Info

ID:	347401
PubChem CID:	127272250
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-131.6
Dipole, Da:	4.52
IP(EA), eV:	-9.01(-0.02)
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-methylpiperazin-1-yl)pyridin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O)N3CCOCC3

DOS

IR

Vibrations