Geometry & MOs

Info

ID:	305970
PubChem CID:	124976449
Reduced:	FO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	3.45
IP(EA), eV:	-9.07(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-[2-(dimethylamino)-5-[2-[(4-methoxyphenyl)methylamino]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CC2=NC=CN2)C3=NNC(=C3)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations