Geometry & MOs

Info

ID:	391212
PubChem CID:	135003558
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	361.127385
ΔH_f, kcal/mol:	-164.09
Dipole, Da:	3.11
IP(EA), eV:	-8.45(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-7-ethoxy-1,3-dimethyl-5-(4-nitrophenyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1C=CN(C(=C1C(=O)OC)C(=O)OC)CC(C)C

DOS

IR

Vibrations