Geometry & MOs

Info

ID:	436760
PubChem CID:	135211219
Reduced:	N5C30H33 (1)
Stoich.:	A5B30C33 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	101.03
Dipole, Da:	8.84
IP(EA), eV:	-8.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-spiro[[1]benzofuro[3,2-b]chromene-11,1'-cyclohexane]-2-yloxybutane-1,3-diol

Drug info:

PubChemData

Smile

CC1(C2=CC(=C(C=C2CC3=C1N(C4=C3C=CC(=C4)C#N)C)C#N)N5CCC(CC5)N6CCCC6)C

DOS

IR

Vibrations