Geometry & MOs

Info

ID:	28688
PubChem CID:	828977
Reduced:	ClN5C11H18 (1)
Stoich.:	AB5C11D18 (1)
Weight, g/mol:	325.081104
ΔH_f, kcal/mol:	18.63
Dipole, Da:	4.82
IP(EA), eV:	-9.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethylideneamino)-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)N2CCC(CC2)C

DOS

IR

Vibrations