Geometry & MOs

Info

ID:	392558
PubChem CID:	135017154
Reduced:	NO6C15H23 (1)
Stoich.:	AB6C15D23 (1)
Weight, g/mol:	368.163711
ΔH_f, kcal/mol:	-273.09
Dipole, Da:	3.16
IP(EA), eV:	-10.02(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(2Z)-2-[cyano(isocyano)methylidene]-4-methylpentyl]-1H-benzo[f]chromene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1N2C(=O)[C@@H]3C[C@@H](O[C@@H]3[C@]2(CO1)C(=O)OC)CO

DOS

IR

Vibrations