Geometry & MOs

Info

ID:	416897
PubChem CID:	135090740
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	4.79
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[(2-methyloxolan-2-yl)methylamino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations