Geometry & MOs

Info

ID:	331313
PubChem CID:	127248720
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	14.91
Dipole, Da:	4.63
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1=C(C=CC(=C1)CN2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)OC

DOS

IR

Vibrations