Geometry & MOs

Info

ID:	188302
PubChem CID:	77695536
Reduced:	ClO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	-150.76
Dipole, Da:	6.85
IP(EA), eV:	-9.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1,3,5,7,9,12-hexaen-4-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)O)OC(=O)CCCCl

DOS

IR

Vibrations