Geometry & MOs

Info

ID:	134357
PubChem CID:	51685760
Reduced:	SN3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	402.218152
ΔH_f, kcal/mol:	0.19
Dipole, Da:	5.16
IP(EA), eV:	-8.26(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1[C@@H]2CCC[C@H]1CC(C2)NC(=S)NC3=CC=C(C=C3)C

DOS

IR

Vibrations