Geometry & MOs

Info

ID:	177592
PubChem CID:	76202843
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	42.85
Dipole, Da:	3.36
IP(EA), eV:	-8.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-N-(pyrazolidin-4-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=NCC1=CNN=C1)C2=CC3=C(C=C2)NC(=O)N3

DOS

IR

Vibrations