Geometry & MOs

Info

ID:	221336
PubChem CID:	85267768
Reduced:	NO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	405.145534
ΔH_f, kcal/mol:	-256.77
Dipole, Da:	6.12
IP(EA), eV:	-9.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-(heptylamino)-10,11-dimethoxy-2,8-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaene-3,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCC(CCC(=O)NCC1=CC=CC=C1)OC(=O)CCC(=O)O

DOS

IR

Vibrations