Geometry & MOs

Info

ID:	159961
PubChem CID:	57304192
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	6.32
IP(EA), eV:	-8.75(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2R,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetate

Drug info:

PubChemData

Smile

CCCCN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)OCCCC

DOS

IR

Vibrations