Geometry & MOs

Info

ID:	347607
PubChem CID:	127272462
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	5.21
IP(EA), eV:	-8.62(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations