Geometry & MOs

Info

ID:	320288
PubChem CID:	126659291
Reduced:	N5H27C29 (1)
Stoich.:	A5B27C29 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	187.62
Dipole, Da:	4.79
IP(EA), eV:	-7.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[5-amino-7-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-(4-aminophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C2C3CC4=C(C(=CC=C4)CN2C5=CC=CC=C51)C(=C3)CC6=CC=CC=C6C7=NC=NN7C

DOS

IR

Vibrations