Geometry & MOs

Info

ID:	163868
PubChem CID:	74380581
Reduced:	FON2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	467.243359
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	4.2
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[hydroxy-(1-methylpyrrolidin-2-yl)methyl]phenyl]ethylamino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)C2CC2C3=CN=C(C=C3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations