Geometry & MOs

Info

ID:	223488
PubChem CID:	85335115
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	384.100748
ΔH_f, kcal/mol:	-47.42
Dipole, Da:	3.21
IP(EA), eV:	-9.05(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methylideneamino]oxyacetate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CNC2NC3C(C(=O)N2)N(C=N3)CCCCCOC)C

DOS

IR

Vibrations