Geometry & MOs

Info

ID:	442674
PubChem CID:	135255735
Reduced:	ClON6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	464.209137
ΔH_f, kcal/mol:	48.96
Dipole, Da:	3.13
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NC1CN(C1)C2CCC[C@H](C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl

DOS

IR

Vibrations