Geometry & MOs

Info

ID:	163869
PubChem CID:	74380583
Reduced:	ON7C27H29 (1)
Stoich.:	AB7C27D29 (1)
Weight, g/mol:	494.199715
ΔH_f, kcal/mol:	83.94
Dipole, Da:	9.89
IP(EA), eV:	-8.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-(1,2-dimethylpyrrolidin-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC=C2C3=NC(=NC=C3C#N)NC(C)C4=CC=C(C=C4)C(C5CCCN5C)O

DOS

IR

Vibrations