Geometry & MOs

Info

ID:	32189
PubChem CID:	6435803
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	464.171414
ΔH_f, kcal/mol:	116.51
Dipole, Da:	1.82
IP(EA), eV:	-2.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;5-chloro-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCC[N+](C)(C)C

DOS

IR

Vibrations