Geometry & MOs

Info

ID:	449380
PubChem CID:	135298128
Reduced:	OCl2N5C27H27 (1)
Stoich.:	AB2C5D27E27 (1)
Weight, g/mol:	541.144759
ΔH_f, kcal/mol:	66.95
Dipole, Da:	2.84
IP(EA), eV:	-8.38(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]pyridin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=CN=C(C=C4)CN5CCCCC5

DOS

IR

Vibrations