Geometry & MOs

Info

ID:	16669
PubChem CID:	474615
Reduced:	N2O5C21H26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-190.65
Dipole, Da:	6.02
IP(EA), eV:	-9.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)NC1=O)CC2CC2(CO)CO)C(=O)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations