Geometry & MOs

Info

ID:	81461
PubChem CID:	49854753
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	408.04332
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	9.33
IP(EA), eV:	-9.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-hydroxyphenyl)-2-(6-morpholin-4-yl-4-oxo-1H-pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCN2C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations