Geometry & MOs

Info

ID:	136378
PubChem CID:	52030872
Reduced:	BrO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	2.75
IP(EA), eV:	-9.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-6-oxo-2-phenylpyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N(C1=O)CCC(=O)NCC2=CC(=CC=C2)Br)C3=CC=CC=C3)C

DOS

IR

Vibrations