Geometry & MOs

Info

ID:	430672
PubChem CID:	135170738
Reduced:	N2O3C29H32 (1)
Stoich.:	A2B3C29D32 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-82.3
Dipole, Da:	3.98
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E,6E)-3-(4-ethyl-3-hydroxyphenyl)-6-ethylidene-5-propylidene-2-pyridin-3-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=CC=C2)C3=CC=C(C=C3)OC4C[C@H]5CCC[C@@H](C4)N5C(=O)[C@H]6CCCO6

DOS

IR

Vibrations