Geometry & MOs

Info

ID:	394218
PubChem CID:	135022550
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	769.357915
ΔH_f, kcal/mol:	18.96
Dipole, Da:	3.52
IP(EA), eV:	-7.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-bis[(E)-2-(1-hexylpyrrol-2-yl)ethenyl]-2,3-bis[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine

Drug info:

PubChemData

Smile

CC(=N)/C=C\1/C(=C(C1=O)C2=CC=C(C=C2)N(C)C)O

DOS

IR

Vibrations