Geometry & MOs

Info

ID:	416430
PubChem CID:	135089443
Reduced:	N7O7C35H43 (1)
Stoich.:	A7B7C35D43 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-232.98
Dipole, Da:	4.42
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC=C(C=C2)C3=CN=CO3)C)CC4=CC=CC=C4

DOS

IR

Vibrations