Geometry & MOs

Info

ID:	62419
PubChem CID:	26719698
Reduced:	ClO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	18.14
Dipole, Da:	3.48
IP(EA), eV:	-8.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations