Geometry & MOs

Info

ID:	331310
PubChem CID:	127248717
Reduced:	FON6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	1.83
Dipole, Da:	5.31
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CCCC3=CC=C(C=C3)F)C4=CN=CN=C4

DOS

IR

Vibrations