Geometry & MOs

Info

ID:	377870
PubChem CID:	134223935
Reduced:	ClFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	563.362411
ΔH_f, kcal/mol:	-27.56
Dipole, Da:	4.03
IP(EA), eV:	-8.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-butoxy-1-[1-(methylamino)ethenyl]indol-5-yl]methyl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]ethenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)/C(=C\NC1=CC(=C(C=C1)F)Cl)/C=C\N=C

DOS

IR

Vibrations