Geometry & MOs

Info

ID:	134358
PubChem CID:	51685761
Reduced:	O2N3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	10.15
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131436
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-phenylphenyl)urea

Drug info:

PubChemData

Smile

C1C[C@H]2CC(C[C@@H]1[NH+]2CC3=CC=CO3)NC(=O)NC4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations