Geometry & MOs

Info

ID:	331321
PubChem CID:	127248728
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	11.81
Dipole, Da:	5.83
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[1-[[2-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)CO

DOS

IR

Vibrations