Geometry & MOs

Info

ID:	331319
PubChem CID:	127248726
Reduced:	FON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	448.238688
ΔH_f, kcal/mol:	23.08
Dipole, Da:	5.75
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]-4-(4-fluoro-3-methylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)C(=O)N3CCC(C3)C4=NC(=NC=C4C5=CC(=CC=C5)F)N(C)C

DOS

IR

Vibrations