Geometry & MOs

Info

ID:	331314
PubChem CID:	127248721
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	434.27941
ΔH_f, kcal/mol:	25.15
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC3=CC(=CC=C3)OCCOC)C4=CN=CN=C4

DOS

IR

Vibrations