Geometry & MOs

Info

ID:	28684
PubChem CID:	828937
Reduced:	SN2O2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	3.93
Dipole, Da:	3.99
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-hydroxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)NC3=CC=CC=C3O

DOS

IR

Vibrations