Geometry & MOs

Info

ID:	135592
PubChem CID:	51897825
Reduced:	FNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	503.281087
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	3.84
IP(EA), eV:	-9.39(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-4,5-diphenyl-2-[[(1S,5R)-1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-ylidene]methylamino]pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations