Geometry & MOs

Info

ID:	194003
PubChem CID:	78468072
Reduced:	FN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	366.193
ΔH_f, kcal/mol:	-160.34
Dipole, Da:	9.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757569
Charge, e:	1

Chem-info

IUPAC name:

6-amino-7-butan-2-yl-13-methyl-2-oxo-N-prop-2-enyl-7,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,8,11,13-hexaene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC3=CC=CC=C3F

DOS

IR

Vibrations