Geometry & MOs

Info

ID:	220931
PubChem CID:	85240620
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-29.75
Dipole, Da:	6.51
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-benzyl-6,8-dimethyl-8-azabicyclo[3.2.1]octan-2-ylidene)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C=C3C4CCC(C3=NC2=N1)(C4(C)C)C

DOS

IR

Vibrations