Geometry & MOs

Info

ID:	181743
PubChem CID:	76787015
Reduced:	SO4N5H29C30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-67.72
Dipole, Da:	6.86
IP(EA), eV:	-8.77(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=CC(=O)CCC(=O)N1CCN(CC1)C2=NC=C(C=C2)C3=C4C=C(C=CC4=NC=C3)C=C5C(=O)NC(=O)S5)C

DOS

IR

Vibrations