Geometry & MOs

Info

ID:	397131
PubChem CID:	135029770
Reduced:	ISN3O5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-32.09
Dipole, Da:	5.49
IP(EA), eV:	-9.53(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-(4-nitrophenyl)-2-phenyliminochromen-7-amine

Drug info:

PubChemData

Smile

C/C=C(/CN(CC[C@]12CC(=O)CCC1=NC3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])\I

DOS

IR

Vibrations