Geometry & MOs

Info

ID:	342057
PubChem CID:	127264770
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	236.094963
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	1.96
IP(EA), eV:	-9.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2H-chromen-3-yl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2CCOCC2)C(=O)OCC=CC3=CC=CC=C3

DOS

IR

Vibrations