Geometry & MOs

Info

ID:	342555
PubChem CID:	127265710
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-19.05
Dipole, Da:	3.98
IP(EA), eV:	-8.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-ethylindazol-3-yl)ethenyl]-4-propan-2-ylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C=CC(=O)N2CCOCC2C3=CC=CN3C

DOS

IR

Vibrations