Geometry & MOs

Info

ID:	121540
PubChem CID:	50772807
Reduced:	O2N3H17C23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	50.38
Dipole, Da:	5.8
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations