Geometry & MOs

Info

ID:	342290
PubChem CID:	127265067
Reduced:	N4O4H14C17 (1)
Stoich.:	A4B4C14D17 (1)
Weight, g/mol:	313.117489
ΔH_f, kcal/mol:	50.42
Dipole, Da:	9.31
IP(EA), eV:	-9.03(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[2-(5-nitropyridin-2-yl)ethenyl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C=CC3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations