Geometry & MOs

Info

ID:	80926
PubChem CID:	49853919
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	377.113547
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	2.29
IP(EA), eV:	-8.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-nitrophenyl)-2-(6-morpholin-4-yl-4-oxo-1H-pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C34CC3CN(C4)CC5=CN=CC=C5

DOS

IR

Vibrations