Geometry & MOs

Info

ID:	342691
PubChem CID:	127265851
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	7.63
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)C(=CC2=CC=C(C=C2)C(=O)NC)CC

DOS

IR

Vibrations