Geometry & MOs

Info

ID:	125775
PubChem CID:	50937769
Reduced:	ON2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753749
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C[NH3+]

DOS

IR

Vibrations