Geometry & MOs

Info

ID:	29669
PubChem CID:	836341
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	2.18
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CCCC2=CC=CC=C2

DOS

IR

Vibrations