Geometry & MOs

Info

ID:	18925
PubChem CID:	551025
Reduced:	N4O4C15H16 (1)
Stoich.:	A4B4C15D16 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	3.95
IP(EA), eV:	-9.7(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C=NC=C2C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations