Geometry & MOs

Info

ID:	217258
PubChem CID:	85087512
Reduced:	O3N5H13C18 (1)
Stoich.:	A3B5C13D18 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	83.95
Dipole, Da:	9.32
IP(EA), eV:	-9.04(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN2C3=CC=CC=C3NC2=NC(=O)C1=CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations