Geometry & MOs

Info

ID:	383342
PubChem CID:	134975013
Reduced:	N4O4C27H40 (1)
Stoich.:	A4B4C27D40 (1)
Weight, g/mol:	482.289306
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	11.25
IP(EA), eV:	-8.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)/C=C/C(=O)NCCCNCCCC[NH2+]CCC[NH3+])C

DOS

IR

Vibrations