Geometry & MOs

Info

ID:	331332
PubChem CID:	127248739
Reduced:	FO2N6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-24.0
Dipole, Da:	3.12
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations