Geometry & MOs

Info

ID:	427443
PubChem CID:	135158987
Reduced:	NO5C8H15 (1)
Stoich.:	AB5C8D15 (1)
Weight, g/mol:	490.236876
ΔH_f, kcal/mol:	-243.51
Dipole, Da:	4.59
IP(EA), eV:	-9.96(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z,5Z)-3-aminohepta-1,3,5-trien-4-yl]-1-benzyl-5-phenyl-4-phenylmethoxypyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C(CC(C(=O)O)N)C(CCC(=O)O)O

DOS

IR

Vibrations