Geometry & MOs

Info

ID:	331257
PubChem CID:	127248664
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	16.99
Dipole, Da:	3.22
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CCC3=CC=CC=C3OC)C4=CN=CN=C4

DOS

IR

Vibrations