Geometry & MOs

Info

ID:	132460
PubChem CID:	51364262
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	4.72
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations