Geometry & MOs

Info

ID:	331305
PubChem CID:	127248712
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	3.49
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations