Geometry & MOs

Info

ID:	299845
PubChem CID:	117695916
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	414.180424
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	4.22
IP(EA), eV:	-9.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[6-(1H-indol-5-yloxy)pyrimidin-4-yl]amino]phenyl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)C(=O)NC(C)C(C)C(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations