Geometry & MOs

Info

ID:	52002
PubChem CID:	12014773
Reduced:	N3O6C22H27 (1)
Stoich.:	A3B6C22D27 (1)
Weight, g/mol:	402.140256
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	4.38
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (5E)-4,7,9-trimethyl-2-(2,2,2-trifluoroacetyl)-1,4,8,9-tetrahydropyrrolo[2,3-d]azocine-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC(=C(N1)C(C)CN(C)/C(=C\C(=O)OC)/C(=O)OC)C=C)/C#N

DOS

IR

Vibrations