Geometry & MOs

Info

ID:	52003
PubChem CID:	12014774
Reduced:	N2F3O5C18H21 (1)
Stoich.:	A2B3C5D18E21 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-325.23
Dipole, Da:	6.74
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(/C(=C(\C(C2=C1NC(=C2)C(=O)C(F)(F)F)C)/C(=O)OC)/C(=O)OC)C

DOS

IR

Vibrations