Geometry & MOs

Info

ID:	51064
PubChem CID:	12013682
Reduced:	N2O2C5H10 (1)
Stoich.:	A2B2C5D10 (1)
Weight, g/mol:	326.03063
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	2.91
IP(EA), eV:	-9.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4Z,6R)-4-(bromomethylidene)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene

Drug info:

PubChemData

Smile

CC1(NCC(=O)N1O)C

DOS

IR

Vibrations