Geometry & MOs

Info

ID:	223479
PubChem CID:	85335102
Reduced:	N2O2H20C25 (1)
Stoich.:	A2B2C20D25 (1)
Weight, g/mol:	380.174945
ΔH_f, kcal/mol:	50.95
Dipole, Da:	4.14
IP(EA), eV:	-7.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-pyrimidin-5-ylethenyl)quinolin-6-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CNC(=O)C2=CC=CO2)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations