Geometry & MOs

Info

ID:	221493
PubChem CID:	85273778
Reduced:	N3O5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	311.148121
ΔH_f, kcal/mol:	-219.12
Dipole, Da:	6.12
IP(EA), eV:	-10.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]butanoate

Drug info:

PubChemData

Smile

CC(CN=C=O)C(=O)N1C(CN(C1=O)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations