Geometry & MOs

Info

ID:	331318
PubChem CID:	127248725
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	444.207388
ΔH_f, kcal/mol:	43.25
Dipole, Da:	2.86
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)C)C)OC

DOS

IR

Vibrations