Geometry & MOs

Info

ID:	147320
PubChem CID:	53786976
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	407.246044
ΔH_f, kcal/mol:	37.89
Dipole, Da:	4.04
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminophenyl)-3-[5-(2-methylbut-3-en-2-yl)-2,4-di(propan-2-yloxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=NC(=NC(=C3C=C2CO)N)N

DOS

IR

Vibrations