Geometry & MOs

Info

ID:	313075
PubChem CID:	126611686
Reduced:	NO2C29H37 (1)
Stoich.:	AB2C29D37 (1)
Weight, g/mol:	331.110296
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	3.67
IP(EA), eV:	-8.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,8a-dihydroquinolin-3-ylmethyl)-3-[5-(methoxyamino)-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2N(C)CC4=CC=CC=C4)CCC5=C3C=CC(=C5)OCCC=O

DOS

IR

Vibrations