Geometry & MOs

Info

ID:	331307
PubChem CID:	127248714
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	7.83
Dipole, Da:	2.4
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations