Geometry & MOs

Info

ID:	331320
PubChem CID:	127248727
Reduced:	FON6C25H29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	5.01
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-2-ethoxyphenyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)F

DOS

IR

Vibrations