Geometry & MOs

Info

ID:	435599
PubChem CID:	135191903
Reduced:	O6C15H16 (1)
Stoich.:	A6B15C16 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	6.43
IP(EA), eV:	-10.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CC(C[C@H]1C(=O)O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations