Geometry & MOs

Info

ID:	167324
PubChem CID:	74809763
Reduced:	O2F3N4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	424.17918
ΔH_f, kcal/mol:	-203.95
Dipole, Da:	4.22
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-(7-ethyl-2-aza-7-azoniaspiro[4.4]nonan-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2CC(NN2)COC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations