Geometry & MOs

Info

ID:	332770
PubChem CID:	127251080
Reduced:	ClON6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	436.238688
ΔH_f, kcal/mol:	40.37
Dipole, Da:	2.94
IP(EA), eV:	-8.75(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)CCC4=CC(=CC=C4)Cl)N(C)C

DOS

IR

Vibrations