Geometry & MOs

Info

ID:

177293

PubChem CID:

76162311

Reduced:

ClN5O5C30H32 (1)

Stoich.:

AB5C5D30E32 (1)

Weight, g/mol:

388.247441

ΔHf, kcal/mol:

-139.82

Dipole, Da:

8.58

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(cyclopropylmethyl)-N-[3-(dimethylamino)propyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

CN1C2CCC(OC2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)Cl)CC(=O)NCCC5=CC=NC=C5

DOS

IR

Vibrations