Geometry & MOs

Info

ID:	16747
PubChem CID:	476227
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	3.25
IP(EA), eV:	-9.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2,4-dimethoxy-6-(1-phenyl-1-phenylmethoxybut-3-enyl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(N=C(N=C1OC)OC)C(CC=C)(C2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations