Geometry & MOs

Info

ID:	332902
PubChem CID:	127251326
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	8.55
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-1-[3-[6-methyl-4-(pyrimidin-2-ylamino)pyridin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CCC3=CC=C(C=C3)OC)NC4=NC=C(C=C4)F

DOS

IR

Vibrations