Geometry & MOs

Info

ID:	50262
PubChem CID:	12012778
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	5.88
IP(EA), eV:	-9.18(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,3Z,4R)-3-(2-methoxy-2-oxoethylidene)-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H]2C[C@]3(C1C=CC3)NC4=C2C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations