Geometry & MOs

Info

ID:	196559
PubChem CID:	78847992
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	3.75
Dipole, Da:	7.17
IP(EA), eV:	-9.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)N(CC3=CC=C(C=C3)C(=O)NC4CC4)C5CC5

DOS

IR

Vibrations