Geometry & MOs

Info

ID:	437000
PubChem CID:	135213657
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	452.111418
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	5.37
IP(EA), eV:	-9.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(dimethylcarbamoyl)-5-methyl-9-oxo-3-(pyridin-3-yloxymethyl)-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCOC1=NC(=O)C(CC1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations